2-chloropyridin-3-amine

• ChemBase ID: 13705
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1cnc(c(c1)N)Cl
• Canonical SMILES: Nc1cccnc1Cl
• InChI: InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
• InChIKey: MEQBJJUWDCYIAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridin-3-amine
• IUPAC Traditional name: 2-chloropyridin-3-amine
• Synonyms: 3-Amino-2-chloropyridine; 2-Chloropyridin-3-amine; 3-Amino-2-chloropyridine; 2-chloropyridin-3-amine; 2-Chloro-3-pyridinamine; 3-氨基-2-氯吡啶

Database IDs

• CAS Number: 6298-19-7
• EC Number: 228-572-9
• MDL Number: MFCD00006238
• Beilstein Number: 109814
• PubChem SID: 160977012; 24846076; 24890900
• PubChem CID: 80528

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7508216
• LogD (pH = 7.4): 0.7508687
• Log P: 0.7508693
• Molar Refractivity: 34.4676 cm^3
• Polarizability: 12.521045 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-78°C; 76-78 °C(lit.); 76-78°C; 76-80°C; 78-80 °C
• Boiling Point: 130-134°C/22mm; 130-134°C/22mm
• Flash Point: 185°C; 185°C(365°F)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 21-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H312-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (NT); 98%; 98+%
• Grade: purum
• Empirical Formula (Hill Notation): C5H5ClN2

DETAILS

MP Biomedicals - 05209400

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A46900

Packaging
10, 50 g in glass bottle

REFERENCES

• Reaction with aroyl halides, followed by cyclization with PPSE (see Hexamethyldisiloxane, A11848), gives oxazolo[5,4-b]pyridines in high yield: Synthesis, 64 (1990):